SCHEMBL13525152

SCHEMBL13525152

Cc1cc(Br)cc(-c2ccc3c(N)n[nH]c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 14/20 0.57
JAK2 O60674 3/20 0.57
TGFBR1 P36897 6/20 0.51
AURKA O14965 5/20 0.51
AURKB Q96GD4 5/20 0.51
ROCK1 Q13464 4/20 0.51
ABL1 P00519 4/20 0.49
BCR P11274 4/20 0.49
CHUK O15111 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
KDR P35968 1/20 0.46
SYK P43405 1/20 0.46
JAK3 P52333 1/20 0.46
MAP3K5 Q99683 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13986221 0.89 PDPK1 (0.66) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13525176 0.85 PDPK1 (0.65) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13986219 0.82 JAK2 (0.56) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524474 0.82 PDPK1 (0.53) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL6479941 0.81 JAK2 (0.72) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL4491663 0.80 PDPK1 (0.71) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13524475 0.80 JAK2 (0.54) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL13986220 0.80 JAK2 (0.54) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL421269 0.74 JAK2 (0.77) PDPK1JAK2TGFBR1AURKAAURKB
SCHEMBL424831 0.73 PDPK1 (1.00) PDPK1JAK2TGFBR1AURKAAURKB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645799-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-12 US disclosed
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-03-05 US disclosed
US-7459564-B2 Substituted biaryl compounds as factor XIa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090062287-A1 SUBSTITUTED BIARYL COMPOUNDS AS FACTOR XIA INHIBITORS TFPI, F3, F12 PDPK1 1904/4885JAK2 485/4885TGFBR1 983/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.